3-chloro-2-N-propan-2-ylpyridine-2,5-diamine

C8H12ClN3 — CID 82468511

IUPAC3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
SMILESCC(C)Nc1ncc(N)cc1Cl
InChIInChI=1S/C8H12ClN3/c1-5(2)12-8-7(9)3-6(10)4-11-8/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyDVCNTJHGAOHGAX-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.14
Rot. Bonds2

About 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine

3-chloro-2-N-propan-2-ylpyridine-2,5-diamine (PubChem CID 82468511) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
PubChem CID82468511
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
SMILESCC(C)Nc1ncc(N)cc1Cl
InChIInChI=1S/C8H12ClN3/c1-5(2)12-8-7(9)3-6(10)4-11-8/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyDVCNTJHGAOHGAX-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine (CID 82468511) is 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine is CC(C)Nc1ncc(N)cc1Cl.
What is the InChIKey of 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine?
The InChIKey is DVCNTJHGAOHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5(2)12-8-7(9)3-6(10)4-11-8/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine?
3-chloro-2-N-propan-2-ylpyridine-2,5-diamine has a molecular weight of 185.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-propan-2-ylpyridine-2,5-diamine is sourced from PubChem (CID 82468511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).